2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide

C20H17N5O2 — CID 142796572

IUPAC2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(NC(=O)C2CC2)c1-c1cnccc1-c1cccnc1
InChIInChI=1S/C20H17N5O2/c21-18(26)15-6-9-24-19(25-20(27)12-3-4-12)17(15)16-11-23-8-5-14(16)13-2-1-7-22-10-13/h1-2,5-12H,3-4H2,(H2,21,26)(H,24,25,27)
InChIKeyMVEKKOVPCSXAHG-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.65
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 142796572) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID142796572
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(NC(=O)C2CC2)c1-c1cnccc1-c1cccnc1
InChIInChI=1S/C20H17N5O2/c21-18(26)15-6-9-24-19(25-20(27)12-3-4-12)17(15)16-11-23-8-5-14(16)13-2-1-7-22-10-13/h1-2,5-12H,3-4H2,(H2,21,26)(H,24,25,27)
InChIKeyMVEKKOVPCSXAHG-UHFFFAOYSA-N
XLogP2.65
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide (CID 142796572) is 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide is NC(=O)c1ccnc(NC(=O)C2CC2)c1-c1cnccc1-c1cccnc1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is MVEKKOVPCSXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c21-18(26)15-6-9-24-19(25-20(27)12-3-4-12)17(15)16-11-23-8-5-14(16)13-2-1-7-22-10-13/h1-2,5-12H,3-4H2,(H2,21,26)(H,24,25,27).
What are the key properties of 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-3-(4-pyridin-3-yl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 142796572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).