cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide

About cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide (PubChem CID 51499433) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide
PubChem CID	51499433
Molecular Formula	C21H24N4O
Molecular Weight	348.45 g/mol
Exact Mass	348.20
IUPAC Name	cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide
SMILES	Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)[C@@H]1C[C@@H]1C
InChI	InChI=1S/C21H24N4O/c1-14-12-18(14)21(26)24-10-5-11-25-19(17-7-4-8-22-15(17)2)13-16-6-3-9-23-20(16)25/h3-4,6-9,13-14,18H,5,10-12H2,1-2H3,(H,24,26)/t14-,18+/m0/s1
InChIKey	IERRSSVAMRSMHG-KBXCAEBGSA-N
XLogP	3.57
TPSA	59.81 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide (CID 51499433) is cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide is Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)[C@@H]1C[C@@H]1C.

What is the InChIKey of cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide?

The InChIKey is IERRSSVAMRSMHG-KBXCAEBGSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-12-18(14)21(26)24-10-5-11-25-19(17-7-4-8-22-15(17)2)13-16-6-3-9-23-20(16)25/h3-4,6-9,13-14,18H,5,10-12H2,1-2H3,(H,24,26)/t14-,18+/m0/s1.

What are the key properties of cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide?

cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-methyl-N-[3-[2-(2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51499433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).