N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C16H19N5O — CID 144889453

IUPACN-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESC/N=C(\C)Nc1cc(-c2ccnc(NC(C)=O)c2)cnc1C
InChIInChI=1S/C16H19N5O/c1-10-15(20-11(2)17-4)7-14(9-19-10)13-5-6-18-16(8-13)21-12(3)22/h5-9H,1-4H3,(H,17,20)(H,18,21,22)
InChIKeyYRQDQWSISURNQS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds3

About N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 144889453) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID144889453
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESC/N=C(\C)Nc1cc(-c2ccnc(NC(C)=O)c2)cnc1C
InChIInChI=1S/C16H19N5O/c1-10-15(20-11(2)17-4)7-14(9-19-10)13-5-6-18-16(8-13)21-12(3)22/h5-9H,1-4H3,(H,17,20)(H,18,21,22)
InChIKeyYRQDQWSISURNQS-UHFFFAOYSA-N
XLogP2.87
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[5-[(3-tert-butylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293605
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-(2-methyl-5-pyridin-3-yl-3-pyridinyl)acetamide
CID 176579518
N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-[5-[benzenesulfonyl(methyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293459
N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 163420371
N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
CID 21131959
N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238035
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
CID 158101881
N-[4-[5-[4-(dimethylamino)-1,1-dihydroxy-1,2-thiazolidin-2-yl]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118237846
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 144889453) is N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is C/N=C(\C)Nc1cc(-c2ccnc(NC(C)=O)c2)cnc1C.
What is the InChIKey of N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is YRQDQWSISURNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-15(20-11(2)17-4)7-14(9-19-10)13-5-6-18-16(8-13)21-12(3)22/h5-9H,1-4H3,(H,17,20)(H,18,21,22).
What are the key properties of N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 144889453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).