6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide

C16H16N4O3 — CID 118732146

IUPAC6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1cc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O
InChIInChI=1S/C16H16N4O3/c1-23-13-7-12(19-8-11(13)15(17)21)10-4-5-18-14(6-10)20-16(22)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,21)(H,18,20,22)
InChIKeyVVBUVZXGOCQHEL-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.60
Rot. Bonds5

About 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide

6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide (PubChem CID 118732146) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide
PubChem CID118732146
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1cc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O
InChIInChI=1S/C16H16N4O3/c1-23-13-7-12(19-8-11(13)15(17)21)10-4-5-18-14(6-10)20-16(22)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,21)(H,18,20,22)
InChIKeyVVBUVZXGOCQHEL-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 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide (CID 118732146) is 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide is COc1cc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O.
What is the InChIKey of 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is VVBUVZXGOCQHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-13-7-12(19-8-11(13)15(17)21)10-4-5-18-14(6-10)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 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide?
6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-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 6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 118732146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).