(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

C25H29N5 — CID 176990733

IUPAC(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILESN[C@H]1CCc2ncc(CCN[C@H](c3ccccc3)[C@H]3CNc4cccnc4C3)cc21
InChIInChI=1S/C25H29N5/c26-21-8-9-22-20(21)13-17(15-29-22)10-12-28-25(18-5-2-1-3-6-18)19-14-24-23(30-16-19)7-4-11-27-24/h1-7,11,13,15,19,21,25,28,30H,8-10,12,14,16,26H2/t19-,21+,25-/m1/s1
InChIKeyNWDIQAWZSZHMGG-FZOAFFARSA-N
MW399.54 g/mol
LogP3.58
Rot. Bonds6

About (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine

(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (PubChem CID 176990733) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.

Molecular Properties

Compound Name(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
PubChem CID176990733
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
SMILESN[C@H]1CCc2ncc(CCN[C@H](c3ccccc3)[C@H]3CNc4cccnc4C3)cc21
InChIInChI=1S/C25H29N5/c26-21-8-9-22-20(21)13-17(15-29-22)10-12-28-25(18-5-2-1-3-6-18)19-14-24-23(30-16-19)7-4-11-27-24/h1-7,11,13,15,19,21,25,28,30H,8-10,12,14,16,26H2/t19-,21+,25-/m1/s1
InChIKeyNWDIQAWZSZHMGG-FZOAFFARSA-N
XLogP3.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine with MolForge

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Related Compounds

2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid
CID 176990713
fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate
CID 176990679
2-[2-fluoro-5-[1-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]propan-2-yl]phenyl]-2-methylpropanoic acid
CID 176990702
4-[2-[[phenyl(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
CID 176990480
2-[3-fluoro-5-[(2S)-1-[[(S)-[(3S)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]propan-2-yl]phenyl]acetic acid
CID 176990759
4-[2-[[(3-fluorophenyl)-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl)methyl]amino]ethyl]benzonitrile
CID 176990216
1,2,3,4-tetrahydro-1,5-naphthyridine-3-carbaldehyde
CID 158019694
N-[(S)-(6-methoxy-2-pyridinyl)-[(3R)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methyl]-2-(4-methylphenyl)ethanamine
CID 176990936
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The IUPAC name of (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine (CID 176990733) is (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine.
What is the SMILES notation for (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The canonical SMILES for (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is N[C@H]1CCc2ncc(CCN[C@H](c3ccccc3)[C@H]3CNc4cccnc4C3)cc21.
What is the InChIKey of (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
The InChIKey is NWDIQAWZSZHMGG-FZOAFFARSA-N. The full InChI is InChI=1S/C25H29N5/c26-21-8-9-22-20(21)13-17(15-29-22)10-12-28-25(18-5-2-1-3-6-18)19-14-24-23(30-16-19)7-4-11-27-24/h1-7,11,13,15,19,21,25,28,30H,8-10,12,14,16,26H2/t19-,21+,25-/m1/s1.
What are the key properties of (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine?
(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine has a molecular weight of 399.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine is sourced from PubChem (CID 176990733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).