6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine

C20H25N7O — CID 123749644

IUPAC6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine
SMILES[H]/N=C(\c1cccc(OC2CCCNC2)n1)c1cc(C(/C=N/[H])/C=N/C)ncc1N
InChIInChI=1S/C20H25N7O/c1-24-10-13(9-21)18-8-15(16(22)12-26-18)20(23)17-5-2-6-19(27-17)28-14-4-3-7-25-11-14/h2,5-6,8-10,12-14,21,23,25H,3-4,7,11,22H2,1H3/b21-9+,23-20-,24-10+
InChIKeyTYVDPAYOXHEJLB-ZQQKYETFSA-N
MW379.47 g/mol
LogP2.04
Rot. Bonds7

About 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine

6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine (PubChem CID 123749644) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine
PubChem CID123749644
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine
SMILES[H]/N=C(\c1cccc(OC2CCCNC2)n1)c1cc(C(/C=N/[H])/C=N/C)ncc1N
InChIInChI=1S/C20H25N7O/c1-24-10-13(9-21)18-8-15(16(22)12-26-18)20(23)17-5-2-6-19(27-17)28-14-4-3-7-25-11-14/h2,5-6,8-10,12-14,21,23,25H,3-4,7,11,22H2,1H3/b21-9+,23-20-,24-10+
InChIKeyTYVDPAYOXHEJLB-ZQQKYETFSA-N
XLogP2.04
TPSA133.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine 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

N-[6-[5-amino-2-(1-ethylimino-3-iminopropan-2-yl)pyridine-4-carboximidoyl]-2-pyridinyl]azepan-3-amine
CID 123722510
4-[6-(4-aminopiperidin-1-yl)-5-methylpyridine-2-carboximidoyl]-6-(1-imino-3-methyliminopropan-2-yl)pyridin-3-amine
CID 123483708
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048
6-cyclohexyloxypyridine-2-carboximidamide
CID 53485053
6-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 170900649
6-[(3R)-piperidin-3-yl]oxypyridin-3-amine;hydrochloride
CID 170900772
2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854
2-piperidin-3-yloxyquinoline
CID 62348175
1-[[5-[5-amino-2-(1-ethylimino-3-iminopropan-2-yl)pyridine-4-carboximidoyl]-2-oxo-1-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 123806803
2-[6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-4-carboximidoyl]-4-(1-imino-3-methyliminopropan-2-yl)aniline
CID 123487503
5-fluoro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 66247992

Frequently Asked Questions

What is the IUPAC name of 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine?
The IUPAC name of 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine (CID 123749644) is 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine.
What is the SMILES notation for 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine?
The canonical SMILES for 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine is [H]/N=C(\c1cccc(OC2CCCNC2)n1)c1cc(C(/C=N/[H])/C=N/C)ncc1N.
What is the InChIKey of 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine?
The InChIKey is TYVDPAYOXHEJLB-ZQQKYETFSA-N. The full InChI is InChI=1S/C20H25N7O/c1-24-10-13(9-21)18-8-15(16(22)12-26-18)20(23)17-5-2-6-19(27-17)28-14-4-3-7-25-11-14/h2,5-6,8-10,12-14,21,23,25H,3-4,7,11,22H2,1H3/b21-9+,23-20-,24-10+.
What are the key properties of 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine?
6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine has a molecular weight of 379.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imino-3-methyliminopropan-2-yl)-4-(6-piperidin-3-yloxypyridine-2-carboximidoyl)pyridin-3-amine is sourced from PubChem (CID 123749644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).