7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid

C19H30N4O2 — CID 175201524

IUPAC7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
SMILESCN[C@H]1CCN(CCCCCc2ccc3c(n2)N(C(=O)O)CCC3)C1
InChIInChI=1S/C19H30N4O2/c1-20-17-10-13-22(14-17)11-4-2-3-7-16-9-8-15-6-5-12-23(19(24)25)18(15)21-16/h8-9,17,20H,2-7,10-14H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyLMMKAIOMTFVEEL-KRWDZBQOSA-N
MW346.48 g/mol
LogP2.52
Rot. Bonds7

About 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid

7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid (PubChem CID 175201524) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
PubChem CID175201524
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
SMILESCN[C@H]1CCN(CCCCCc2ccc3c(n2)N(C(=O)O)CCC3)C1
InChIInChI=1S/C19H30N4O2/c1-20-17-10-13-22(14-17)11-4-2-3-7-16-9-8-15-6-5-12-23(19(24)25)18(15)21-16/h8-9,17,20H,2-7,10-14H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyLMMKAIOMTFVEEL-KRWDZBQOSA-N
XLogP2.52
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propyl]piperidine-3-carboxylic acid
CID 165121279
7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid
CID 68509915
5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 169021469
tert-butyl 7-(4-prop-2-enoxybutyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 146551735
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134394630
lithium 5-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]pentanoate
CID 168874390
tert-butyl 7-[3-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propoxy]azetidin-1-yl]propyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134514767
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
tert-butyl 7-[5-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 178156106
tert-butyl 7-[4-[[2-(dimethylamino)-2-hydroxyethyl]amino]butyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 175209042
tert-butyl 7-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methoxy]ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 134500824
tert-butyl 7-[3-[(3R)-3-[[(2S)-3-methoxy-2-(naphthalen-1-ylamino)-3-oxopropyl]carbamoyl]piperidin-1-yl]propyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 165121805

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
The IUPAC name of 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid (CID 175201524) is 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
The canonical SMILES for 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid is CN[C@H]1CCN(CCCCCc2ccc3c(n2)N(C(=O)O)CCC3)C1.
What is the InChIKey of 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
The InChIKey is LMMKAIOMTFVEEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-20-17-10-13-22(14-17)11-4-2-3-7-16-9-8-15-6-5-12-23(19(24)25)18(15)21-16/h8-9,17,20H,2-7,10-14H2,1H3,(H,24,25)/t17-/m0/s1.
What are the key properties of 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid?
7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid has a molecular weight of 346.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pentyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 175201524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).