N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine

C22H19N7 — CID 110170150

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESc1cncc(-c2ccc3ncnc(NCCCc4nc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C22H19N7/c1-2-7-18-17(6-1)27-20(28-18)8-4-12-24-22-21-19(25-14-26-22)10-9-16(29-21)15-5-3-11-23-13-15/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,27,28)(H,24,25,26)
InChIKeyPLEIXKZDRBLKCI-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.01
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 110170150) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID110170150
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESc1cncc(-c2ccc3ncnc(NCCCc4nc5ccccc5[nH]4)c3n2)c1
InChIInChI=1S/C22H19N7/c1-2-7-18-17(6-1)27-20(28-18)8-4-12-24-22-21-19(25-14-26-22)10-9-16(29-21)15-5-3-11-23-13-15/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,27,28)(H,24,25,26)
InChIKeyPLEIXKZDRBLKCI-UHFFFAOYSA-N
XLogP4.01
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 110170151
1-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-3-ylurea
CID 51324851
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
CID 133359322
(E)-N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 55529167
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026
N-[4-(1H-benzimidazol-2-yl)butyl]-6-(4-fluorophenyl)-3-nitropyridin-2-amine
CID 110194505
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
6-(4-fluorophenyl)-2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)propylamino]pyridine-3-carbonitrile
CID 110194467
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine (CID 110170150) is N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine is c1cncc(-c2ccc3ncnc(NCCCc4nc5ccccc5[nH]4)c3n2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is PLEIXKZDRBLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-2-7-18-17(6-1)27-20(28-18)8-4-12-24-22-21-19(25-14-26-22)10-9-16(29-21)15-5-3-11-23-13-15/h1-3,5-7,9-11,13-14H,4,8,12H2,(H,27,28)(H,24,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 381.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6-pyridin-3-ylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 110170150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).