1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid

C23H27N5O2 — CID 123151361

IUPAC1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid
SMILESCCC(C)Nc1cc(-c2cc3cnccc3c(N3CCC(C(=O)O)CC3)n2)ccn1
InChIInChI=1S/C23H27N5O2/c1-3-15(2)26-21-13-17(4-9-25-21)20-12-18-14-24-8-5-19(18)22(27-20)28-10-6-16(7-11-28)23(29)30/h4-5,8-9,12-16H,3,6-7,10-11H2,1-2H3,(H,25,26)(H,29,30)
InChIKeyPLFAGMZEKKPATB-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.20
Rot. Bonds6

About 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid

1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid (PubChem CID 123151361) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid
PubChem CID123151361
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid
SMILESCCC(C)Nc1cc(-c2cc3cnccc3c(N3CCC(C(=O)O)CC3)n2)ccn1
InChIInChI=1S/C23H27N5O2/c1-3-15(2)26-21-13-17(4-9-25-21)20-12-18-14-24-8-5-19(18)22(27-20)28-10-6-16(7-11-28)23(29)30/h4-5,8-9,12-16H,3,6-7,10-11H2,1-2H3,(H,25,26)(H,29,30)
InChIKeyPLFAGMZEKKPATB-UHFFFAOYSA-N
XLogP4.20
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid (CID 123151361) is 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid is CCC(C)Nc1cc(-c2cc3cnccc3c(N3CCC(C(=O)O)CC3)n2)ccn1.
What is the InChIKey of 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid?
The InChIKey is PLFAGMZEKKPATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-15(2)26-21-13-17(4-9-25-21)20-12-18-14-24-8-5-19(18)22(27-20)28-10-6-16(7-11-28)23(29)30/h4-5,8-9,12-16H,3,6-7,10-11H2,1-2H3,(H,25,26)(H,29,30).
What are the key properties of 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid?
1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid has a molecular weight of 405.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 123151361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).