N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine

C20H21N7 — CID 123782635

IUPACN-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine
SMILES[H]/N=C/c1cnc(-c2cncc(NC3CCCC3)n2)cc1Nc1ccccn1
InChIInChI=1S/C20H21N7/c21-10-14-11-24-17(9-16(14)26-19-7-3-4-8-23-19)18-12-22-13-20(27-18)25-15-5-1-2-6-15/h3-4,7-13,15,21H,1-2,5-6H2,(H,25,27)(H,23,24,26)/b21-10+
InChIKeyUXNKQAYCSBNACT-UFFVCSGVSA-N
MW359.44 g/mol
LogP4.03
Rot. Bonds6

About N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine

N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine (PubChem CID 123782635) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine
PubChem CID123782635
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine
SMILES[H]/N=C/c1cnc(-c2cncc(NC3CCCC3)n2)cc1Nc1ccccn1
InChIInChI=1S/C20H21N7/c21-10-14-11-24-17(9-16(14)26-19-7-3-4-8-23-19)18-12-22-13-20(27-18)25-15-5-1-2-6-15/h3-4,7-13,15,21H,1-2,5-6H2,(H,25,27)(H,23,24,26)/b21-10+
InChIKeyUXNKQAYCSBNACT-UFFVCSGVSA-N
XLogP4.03
TPSA99.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylpyridin-2-amine;methanamine
CID 143850003
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
(E)-3-[3-[6-(cyclohexylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 143631250
N-pyridin-2-yl-6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95814623
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
CID 45052924
6-(4-phenylfuran-2-yl)-N-piperidin-3-ylpyrazin-2-amine
CID 167992960
2-N-cyclooctylpyrazine-2,6-diamine
CID 78988887
2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
CID 80785345
N-(thian-4-yl)pyridin-2-amine
CID 68572241

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine (CID 123782635) is N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine is [H]/N=C/c1cnc(-c2cncc(NC3CCCC3)n2)cc1Nc1ccccn1.
What is the InChIKey of N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine?
The InChIKey is UXNKQAYCSBNACT-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H21N7/c21-10-14-11-24-17(9-16(14)26-19-7-3-4-8-23-19)18-12-22-13-20(27-18)25-15-5-1-2-6-15/h3-4,7-13,15,21H,1-2,5-6H2,(H,25,27)(H,23,24,26)/b21-10+.
What are the key properties of N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine?
N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[5-methanimidoyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 123782635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).