N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C21H29N7O — CID 177040008

IUPACN-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCC/N=c1\cc(C)c(NC(=O)N2CCc3c(N4CCNCC4)ccnc32)cn1C
InChIInChI=1S/C21H29N7O/c1-4-23-19-13-15(2)17(14-26(19)3)25-21(29)28-10-6-16-18(5-7-24-20(16)28)27-11-8-22-9-12-27/h5,7,13-14,22H,4,6,8-12H2,1-3H3,(H,25,29)/b23-19+
InChIKeyFGOHYYBXRJWSOQ-FCDQGJHFSA-N
MW395.51 g/mol
LogP1.65
Rot. Bonds3

About N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 177040008) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID177040008
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC NameN-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCC/N=c1\cc(C)c(NC(=O)N2CCc3c(N4CCNCC4)ccnc32)cn1C
InChIInChI=1S/C21H29N7O/c1-4-23-19-13-15(2)17(14-26(19)3)25-21(29)28-10-6-16-18(5-7-24-20(16)28)27-11-8-22-9-12-27/h5,7,13-14,22H,4,6,8-12H2,1-3H3,(H,25,29)/b23-19+
InChIKeyFGOHYYBXRJWSOQ-FCDQGJHFSA-N
XLogP1.65
TPSA77.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 177040008) is N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is CC/N=c1\cc(C)c(NC(=O)N2CCc3c(N4CCNCC4)ccnc32)cn1C.
What is the InChIKey of N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is FGOHYYBXRJWSOQ-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H29N7O/c1-4-23-19-13-15(2)17(14-26(19)3)25-21(29)28-10-6-16-18(5-7-24-20(16)28)27-11-8-22-9-12-27/h5,7,13-14,22H,4,6,8-12H2,1-3H3,(H,25,29)/b23-19+.
What are the key properties of N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?
N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 177040008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).