6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid

C14H20N2O3 — CID 134329104

IUPAC6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
SMILESCC(C)CCC(CC(=O)O)NC(=O)c1ccccn1
InChIInChI=1S/C14H20N2O3/c1-10(2)6-7-11(9-13(17)18)16-14(19)12-5-3-4-8-15-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyONVCZFNHYRFFIG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds7

About 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid

6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid (PubChem CID 134329104) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
PubChem CID134329104
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
SMILESCC(C)CCC(CC(=O)O)NC(=O)c1ccccn1
InChIInChI=1S/C14H20N2O3/c1-10(2)6-7-11(9-13(17)18)16-14(19)12-5-3-4-8-15-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyONVCZFNHYRFFIG-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide
CID 155618825
2-[4-methyl-2-(pyridine-2-carbonylamino)pentyl]sulfanylacetic acid
CID 23316646
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid?
The IUPAC name of 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid (CID 134329104) is 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid.
What is the SMILES notation for 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid?
The canonical SMILES for 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid is CC(C)CCC(CC(=O)O)NC(=O)c1ccccn1.
What is the InChIKey of 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid?
The InChIKey is ONVCZFNHYRFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)6-7-11(9-13(17)18)16-14(19)12-5-3-4-8-15-12/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid?
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid is sourced from PubChem (CID 134329104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).