6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

C19H24N8O — CID 59613528

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIInChI=1S/C19H24N8O/c1-27(2)19(28)15-11-25-17(26-18-12-22-14(8-20)10-24-18)7-16(15)23-9-13-3-5-21-6-4-13/h7,10-13,21H,3-6,9H2,1-2H3,(H2,23,24,25,26)
InChIKeyQPWHMDATXFXAQF-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.60
Rot. Bonds6

About 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 59613528) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID59613528
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1
InChIInChI=1S/C19H24N8O/c1-27(2)19(28)15-11-25-17(26-18-12-22-14(8-20)10-24-18)7-16(15)23-9-13-3-5-21-6-4-13/h7,10-13,21H,3-6,9H2,1-2H3,(H2,23,24,25,26)
InChIKeyQPWHMDATXFXAQF-UHFFFAOYSA-N
XLogP1.60
TPSA118.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (CID 59613528) is 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is CN(C)C(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QPWHMDATXFXAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-27(2)19(28)15-11-25-17(26-18-12-22-14(8-20)10-24-18)7-16(15)23-9-13-3-5-21-6-4-13/h7,10-13,21H,3-6,9H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-N,N-dimethyl-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 59613528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).