N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

C21H25N5O — CID 169097851

IUPACN-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2cc3cnc(NC(=O)C4CC4)cc3n2CCN(C)C)ccn1
InChIInChI=1S/C21H25N5O/c1-14-10-16(6-7-22-14)18-11-17-13-23-20(24-21(27)15-4-5-15)12-19(17)26(18)9-8-25(2)3/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,23,24,27)
InChIKeyFSYFGWHIPHVPHZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.32
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide

N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 169097851) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID169097851
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
SMILESCc1cc(-c2cc3cnc(NC(=O)C4CC4)cc3n2CCN(C)C)ccn1
InChIInChI=1S/C21H25N5O/c1-14-10-16(6-7-22-14)18-11-17-13-23-20(24-21(27)15-4-5-15)12-19(17)26(18)9-8-25(2)3/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,23,24,27)
InChIKeyFSYFGWHIPHVPHZ-UHFFFAOYSA-N
XLogP3.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide (CID 169097851) is N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is Cc1cc(-c2cc3cnc(NC(=O)C4CC4)cc3n2CCN(C)C)ccn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is FSYFGWHIPHVPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-10-16(6-7-22-14)18-11-17-13-23-20(24-21(27)15-4-5-15)12-19(17)26(18)9-8-25(2)3/h6-7,10-13,15H,4-5,8-9H2,1-3H3,(H,23,24,27).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide?
N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-2-(2-methyl-4-pyridinyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 169097851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).