4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid

C15H23N3O2 — CID 83121725

IUPAC4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC2(N(C)C)CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C15H23N3O2/c1-11-8-13(12(9-16-11)14(19)20)17-10-15(18(2)3)6-4-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyCDHJDXHHEFSMSK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.37
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid

4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 83121725) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID83121725
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCC2(N(C)C)CCCC2)c(C(=O)O)cn1
InChIInChI=1S/C15H23N3O2/c1-11-8-13(12(9-16-11)14(19)20)17-10-15(18(2)3)6-4-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,16,17)(H,19,20)
InChIKeyCDHJDXHHEFSMSK-UHFFFAOYSA-N
XLogP2.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81243694
6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114125756
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
2-amino-5-[[1-(dimethylamino)cyclopentyl]methylamino]-4-fluorobenzoic acid
CID 83112062
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 104762255
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid (CID 83121725) is 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid is Cc1cc(NCC2(N(C)C)CCCC2)c(C(=O)O)cn1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is CDHJDXHHEFSMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-8-13(12(9-16-11)14(19)20)17-10-15(18(2)3)6-4-5-7-15/h8-9H,4-7,10H2,1-3H3,(H,16,17)(H,19,20).
What are the key properties of 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid?
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 83121725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).