4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide

C21H19N7O2 — CID 118473464

IUPAC4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc3cc[nH]c3cn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C21H19N7O2/c1-23-21(30)14-10-25-19(28-18-8-12-6-7-24-17(12)11-26-18)9-16(14)27-15-5-3-2-4-13(15)20(22)29/h2-11,24H,1H3,(H2,22,29)(H,23,30)(H2,25,26,27,28)
InChIKeyUOKKSJUCOCZNME-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.90
Rot. Bonds6

About 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide

4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide (PubChem CID 118473464) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide
PubChem CID118473464
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc3cc[nH]c3cn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C21H19N7O2/c1-23-21(30)14-10-25-19(28-18-8-12-6-7-24-17(12)11-26-18)9-16(14)27-15-5-3-2-4-13(15)20(22)29/h2-11,24H,1H3,(H2,22,29)(H,23,30)(H2,25,26,27,28)
InChIKeyUOKKSJUCOCZNME-UHFFFAOYSA-N
XLogP2.90
TPSA137.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide (CID 118473464) is 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc3cc[nH]c3cn2)cc1Nc1ccccc1C(N)=O.
What is the InChIKey of 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide?
The InChIKey is UOKKSJUCOCZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-23-21(30)14-10-25-19(28-18-8-12-6-7-24-17(12)11-26-18)9-16(14)27-15-5-3-2-4-13(15)20(22)29/h2-11,24H,1H3,(H2,22,29)(H,23,30)(H2,25,26,27,28).
What are the key properties of 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide?
4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylanilino)-N-methyl-6-(1H-pyrrolo[2,3-c]pyridin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118473464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).