N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide

C23H24N4O4 — CID 71546834

IUPACN-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide
SMILESO=C(NCC1CCC1)c1nc(OCCO)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
InChIKeyGYVSQNBUFKWWPG-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.78
Rot. Bonds8

About N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide

N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide (PubChem CID 71546834) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide
PubChem CID71546834
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide
SMILESO=C(NCC1CCC1)c1nc(OCCO)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29)
InChIKeyGYVSQNBUFKWWPG-UHFFFAOYSA-N
XLogP2.78
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 16736339
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide
CID 143144400
methyl 2-[[6-(cyclobutylmethylcarbamoyl)-5-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]-2-pyridinyl]oxy]acetate
CID 16737680
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-[2-(2-hydroxyethoxy)ethoxy]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 143467857
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
[4-[[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]methyl methanesulfonate;N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 159665617
ethane;methyl 2-[[5-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-(cyclohexylmethylcarbamoyl)-2-pyridinyl]oxy]acetate
CID 143467864
2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 159936141
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-6-methoxy-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;6-methoxy-3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 158402465
N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 11552525

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide (CID 71546834) is N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide is O=C(NCC1CCC1)c1nc(OCCO)ccc1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide?
The InChIKey is GYVSQNBUFKWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-12-13-31-20-9-8-19(21(27-20)23(30)25-14-15-4-3-5-15)26-22(29)17-10-11-24-18-7-2-1-6-16(17)18/h1-2,6-11,15,28H,3-5,12-14H2,(H,25,30)(H,26,29).
What are the key properties of N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide?
N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclobutylmethylcarbamoyl)-6-(2-hydroxyethoxy)-3-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 71546834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).