5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide

C16H16N4O3 — CID 118732145

IUPAC5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(-c2ccnc(NC(=O)C3CC3)c2)cnc1C(N)=O
InChIInChI=1S/C16H16N4O3/c1-23-12-6-11(8-19-14(12)15(17)21)10-4-5-18-13(7-10)20-16(22)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,21)(H,18,20,22)
InChIKeyDQUCRXPTHYXAOS-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.60
Rot. Bonds5

About 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide

5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide (PubChem CID 118732145) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide
PubChem CID118732145
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(-c2ccnc(NC(=O)C3CC3)c2)cnc1C(N)=O
InChIInChI=1S/C16H16N4O3/c1-23-12-6-11(8-19-14(12)15(17)21)10-4-5-18-13(7-10)20-16(22)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,21)(H,18,20,22)
InChIKeyDQUCRXPTHYXAOS-UHFFFAOYSA-N
XLogP1.60
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide?
The IUPAC name of 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide (CID 118732145) is 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide is COc1cc(-c2ccnc(NC(=O)C3CC3)c2)cnc1C(N)=O.
What is the InChIKey of 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide?
The InChIKey is DQUCRXPTHYXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-12-6-11(8-19-14(12)15(17)21)10-4-5-18-13(7-10)20-16(22)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,21)(H,18,20,22).
What are the key properties of 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide?
5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 118732145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).