5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C21H23N3O4 — CID 119113859

IUPAC5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C21H23N3O4/c1-13-11-15(20(26)24-10-4-3-5-14(24)2)6-8-17(13)23-19(25)16-7-9-18(21(27)28)22-12-16/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyDLTHBMOVMOQJKT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.36
Rot. Bonds4

About 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119113859) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119113859
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C21H23N3O4/c1-13-11-15(20(26)24-10-4-3-5-14(24)2)6-8-17(13)23-19(25)16-7-9-18(21(27)28)22-12-16/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,23,25)(H,27,28)
InChIKeyDLTHBMOVMOQJKT-UHFFFAOYSA-N
XLogP3.36
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N,6-trimethyl-5-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86890412
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 166348194
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119113859) is 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is Cc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DLTHBMOVMOQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13-11-15(20(26)24-10-4-3-5-14(24)2)6-8-17(13)23-19(25)16-7-9-18(21(27)28)22-12-16/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,23,25)(H,27,28).
What are the key properties of 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 381.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119113859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).