(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone

C18H23N5O — CID 24993785

IUPAC(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
SMILESCC(C)[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C18H23N5O/c1-12(2)15-11-23(10-9-20-15)16-7-3-6-14(22-16)17(24)13-5-4-8-21-18(13)19/h3-8,12,15,20H,9-11H2,1-2H3,(H2,19,21)/t15-/m1/s1
InChIKeyBKGOJJMSFNDNJN-OAHLLOKOSA-N
MW325.42 g/mol
LogP1.72
Rot. Bonds4

About (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 24993785) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
PubChem CID24993785
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
SMILESCC(C)[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1
InChIInChI=1S/C18H23N5O/c1-12(2)15-11-23(10-9-20-15)16-7-3-6-14(22-16)17(24)13-5-4-8-21-18(13)19/h3-8,12,15,20H,9-11H2,1-2H3,(H2,19,21)/t15-/m1/s1
InChIKeyBKGOJJMSFNDNJN-OAHLLOKOSA-N
XLogP1.72
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
BPKDi
CID 46901383
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134
Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 5
CID 463543
2-Ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470731
2-Ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470752
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757
PKC-iota inhibitor 1
CID 138377600

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone (CID 24993785) is (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone is CC(C)[C@H]1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is BKGOJJMSFNDNJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)15-11-23(10-9-20-15)16-7-3-6-14(22-16)17(24)13-5-4-8-21-18(13)19/h3-8,12,15,20H,9-11H2,1-2H3,(H2,19,21)/t15-/m1/s1.
What are the key properties of (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 24993785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).