4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide

C29H31N7O2 — CID 171792389

IUPAC4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C(C)OCc2nccn2C)ncc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C29H31N7O2/c1-18-12-26(20(3)38-17-28-30-10-11-35(28)4)31-15-24(18)29(37)33-19(2)23-13-27(21-14-32-36(5)16-21)34-25-9-7-6-8-22(23)25/h6-16,19-20H,17H2,1-5H3,(H,33,37)/t19-,20?/m1/s1
InChIKeyFHTYOUXRAFLTEA-FIWHBWSRSA-N
MW509.61 g/mol
LogP4.84
Rot. Bonds8

About 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide

4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 171792389) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID171792389
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC Name4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C(C)OCc2nccn2C)ncc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C29H31N7O2/c1-18-12-26(20(3)38-17-28-30-10-11-35(28)4)31-15-24(18)29(37)33-19(2)23-13-27(21-14-32-36(5)16-21)34-25-9-7-6-8-22(23)25/h6-16,19-20H,17H2,1-5H3,(H,33,37)/t19-,20?/m1/s1
InChIKeyFHTYOUXRAFLTEA-FIWHBWSRSA-N
XLogP4.84
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide (CID 171792389) is 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide is Cc1cc(C(C)OCc2nccn2C)ncc1C(=O)N[C@H](C)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is FHTYOUXRAFLTEA-FIWHBWSRSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-18-12-26(20(3)38-17-28-30-10-11-35(28)4)31-15-24(18)29(37)33-19(2)23-13-27(21-14-32-36(5)16-21)34-25-9-7-6-8-22(23)25/h6-16,19-20H,17H2,1-5H3,(H,33,37)/t19-,20?/m1/s1.
What are the key properties of 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide?
4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-[(1-methylimidazol-2-yl)methoxy]ethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 171792389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).