N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C22H25N5O2 — CID 68751480

IUPACN-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1
InChIInChI=1S/C22H25N5O2/c1-15(2)21(28)26-9-6-16(7-10-26)20-4-3-19(12-24-20)25-22(29)27-13-17-5-8-23-11-18(17)14-27/h3-6,8,11-12,15H,7,9-10,13-14H2,1-2H3,(H,25,29)
InChIKeyVCJZQEQXGYNXOQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.30
Rot. Bonds3

About N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 68751480) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID68751480
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCC(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1
InChIInChI=1S/C22H25N5O2/c1-15(2)21(28)26-9-6-16(7-10-26)20-4-3-19(12-24-20)25-22(29)27-13-17-5-8-23-11-18(17)14-27/h3-6,8,11-12,15H,7,9-10,13-14H2,1-2H3,(H,25,29)
InChIKeyVCJZQEQXGYNXOQ-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 68751480) is N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CC(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cn2)CC1.
What is the InChIKey of N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is VCJZQEQXGYNXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(2)21(28)26-9-6-16(7-10-26)20-4-3-19(12-24-20)25-22(29)27-13-17-5-8-23-11-18(17)14-27/h3-6,8,11-12,15H,7,9-10,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 68751480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).