N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide

C48H51N7O9 — CID 67673667

IUPACN-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
SMILESCc1c[nH]c(=O)c(OCc2ccccc2)c1C(=O)NCCN(CCNC(=O)c1c(C)c[nH]c(=O)c1OCc1ccccc1)CCNC(=O)c1c(C)c[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C48H51N7O9/c1-31-25-52-46(59)40(62-28-34-13-7-4-8-14-34)37(31)43(56)49-19-22-55(23-20-50-44(57)38-32(2)26-53-47(60)41(38)63-29-35-15-9-5-10-16-35)24-21-51-45(58)39-33(3)27-54-48(61)42(39)64-30-36-17-11-6-12-18-36/h4-18,25-27H,19-24,28-30H2,1-3H3,(H,49,56)(H,50,57)(H,51,58)(H,52,59)(H,53,60)(H,54,61)
InChIKeyKASVDJYBWWFFKQ-UHFFFAOYSA-N
MW869.98 g/mol
LogP4.31
Rot. Bonds21

About N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide

N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide (PubChem CID 67673667) has the molecular formula C48H51N7O9 and a molecular weight of 869.98 g/mol. Its IUPAC name is N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
PubChem CID67673667
Molecular FormulaC48H51N7O9
Molecular Weight869.98 g/mol
Exact Mass869.37
IUPAC NameN-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
SMILESCc1c[nH]c(=O)c(OCc2ccccc2)c1C(=O)NCCN(CCNC(=O)c1c(C)c[nH]c(=O)c1OCc1ccccc1)CCNC(=O)c1c(C)c[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C48H51N7O9/c1-31-25-52-46(59)40(62-28-34-13-7-4-8-14-34)37(31)43(56)49-19-22-55(23-20-50-44(57)38-32(2)26-53-47(60)41(38)63-29-35-15-9-5-10-16-35)24-21-51-45(58)39-33(3)27-54-48(61)42(39)64-30-36-17-11-6-12-18-36/h4-18,25-27H,19-24,28-30H2,1-3H3,(H,49,56)(H,50,57)(H,51,58)(H,52,59)(H,53,60)(H,54,61)
InChIKeyKASVDJYBWWFFKQ-UHFFFAOYSA-N
XLogP4.31
TPSA216.81 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.98
LogP ≤ 54.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide with MolForge

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Related Compounds

5-amino-6-[bis[2-[(6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]hexanoic acid
CID 69382475
ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate
CID 58067176
N-butyl-6-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide
CID 143564051
N-[3-(dimethylamino)propyl]-3,4,5-tris(phenylmethoxy)benzamide
CID 3289624
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
CID 23510764
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
CID 159607116
3-methyl-5-(4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 169490402

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
The IUPAC name of N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide (CID 67673667) is N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide is Cc1c[nH]c(=O)c(OCc2ccccc2)c1C(=O)NCCN(CCNC(=O)c1c(C)c[nH]c(=O)c1OCc1ccccc1)CCNC(=O)c1c(C)c[nH]c(=O)c1OCc1ccccc1.
What is the InChIKey of N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
The InChIKey is KASVDJYBWWFFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51N7O9/c1-31-25-52-46(59)40(62-28-34-13-7-4-8-14-34)37(31)43(56)49-19-22-55(23-20-50-44(57)38-32(2)26-53-47(60)41(38)63-29-35-15-9-5-10-16-35)24-21-51-45(58)39-33(3)27-54-48(61)42(39)64-30-36-17-11-6-12-18-36/h4-18,25-27H,19-24,28-30H2,1-3H3,(H,49,56)(H,50,57)(H,51,58)(H,52,59)(H,53,60)(H,54,61).
What are the key properties of N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide?
N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide has a molecular weight of 869.98 g/mol, XLogP of 4.31, 21 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-5-methyl-2-oxo-3-phenylmethoxy-1H-pyridine-4-carboxamide is sourced from PubChem (CID 67673667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).