2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

C19H22N6O2 — CID 153384506

IUPAC2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1
InChIInChI=1S/C19H22N6O2/c1-12(2)13(3)25-11-21-24-17(25)15-8-5-9-16(22-15)23-18(26)14-7-6-10-20-19(14)27-4/h5-13H,1-4H3,(H,22,23,26)/t13-/m0/s1
InChIKeySOBFWZYTNMEQKF-ZDUSSCGKSA-N
MW366.43 g/mol
LogP3.21
Rot. Bonds6

About 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 153384506) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID153384506
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1
InChIInChI=1S/C19H22N6O2/c1-12(2)13(3)25-11-21-24-17(25)15-8-5-9-16(22-15)23-18(26)14-7-6-10-20-19(14)27-4/h5-13H,1-4H3,(H,22,23,26)/t13-/m0/s1
InChIKeySOBFWZYTNMEQKF-ZDUSSCGKSA-N
XLogP3.21
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 153384506) is 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(C)C)n1.
What is the InChIKey of 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is SOBFWZYTNMEQKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)13(3)25-11-21-24-17(25)15-8-5-9-16(22-15)23-18(26)14-7-6-10-20-19(14)27-4/h5-13H,1-4H3,(H,22,23,26)/t13-/m0/s1.
What are the key properties of 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?
2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 153384506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).