N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane

C28H29ClN6O — CID 145441054

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane
SMILESCC.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnccc12
InChIInChI=1S/C26H23ClN6O.C2H6/c1-15-7-25(28)32-16(2)21(15)11-31-26(34)22-14-33(24-12-29-6-5-20(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;1-2/h3-10,12,14H,11,13H2,1-2H3,(H2,28,32)(H,31,34);1-2H3
InChIKeyLNQPDWHMRUTGFD-UHFFFAOYSA-N
MW501.03 g/mol
LogP5.84
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane (PubChem CID 145441054) has the molecular formula C28H29ClN6O and a molecular weight of 501.03 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane
PubChem CID145441054
Molecular FormulaC28H29ClN6O
Molecular Weight501.03 g/mol
Exact Mass500.21
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane
SMILESCC.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnccc12
InChIInChI=1S/C26H23ClN6O.C2H6/c1-15-7-25(28)32-16(2)21(15)11-31-26(34)22-14-33(24-12-29-6-5-20(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;1-2/h3-10,12,14H,11,13H2,1-2H3,(H2,28,32)(H,31,34);1-2H3
InChIKeyLNQPDWHMRUTGFD-UHFFFAOYSA-N
XLogP5.84
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane (CID 145441054) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane is CC.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnccc12.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane?
The InChIKey is LNQPDWHMRUTGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C2H6/c1-15-7-25(28)32-16(2)21(15)11-31-26(34)22-14-33(24-12-29-6-5-20(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;1-2/h3-10,12,14H,11,13H2,1-2H3,(H2,28,32)(H,31,34);1-2H3.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane has a molecular weight of 501.03 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 145441054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).