N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine

C20H23N7 — CID 56754375

IUPACN-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESc1cncc(NCCCNc2nc(-c3cccnc3)nc3c2CCNC3)c1
InChIInChI=1S/C20H23N7/c1-4-15(12-21-7-1)19-26-18-14-23-11-6-17(18)20(27-19)25-10-3-9-24-16-5-2-8-22-13-16/h1-2,4-5,7-8,12-13,23-24H,3,6,9-11,14H2,(H,25,26,27)
InChIKeyCOGBIASUSAVVSJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.49
Rot. Bonds7

About N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine

N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 56754375) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID56754375
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC NameN-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESc1cncc(NCCCNc2nc(-c3cccnc3)nc3c2CCNC3)c1
InChIInChI=1S/C20H23N7/c1-4-15(12-21-7-1)19-26-18-14-23-11-6-17(18)20(27-19)25-10-3-9-24-16-5-2-8-22-13-16/h1-2,4-5,7-8,12-13,23-24H,3,6,9-11,14H2,(H,25,26,27)
InChIKeyCOGBIASUSAVVSJ-UHFFFAOYSA-N
XLogP2.49
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56739355
1-[3-[(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 56867630
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214429
N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95221672
2-phenyl-N-[(2R)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214430
2-pyridin-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70753057
2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56884833
1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644
2-pyridin-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 166225639
N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56885388
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56880327

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (CID 56754375) is N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is c1cncc(NCCCNc2nc(-c3cccnc3)nc3c2CCNC3)c1.
What is the InChIKey of N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is COGBIASUSAVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-4-15(12-21-7-1)19-26-18-14-23-11-6-17(18)20(27-19)25-10-3-9-24-16-5-2-8-22-13-16/h1-2,4-5,7-8,12-13,23-24H,3,6,9-11,14H2,(H,25,26,27).
What are the key properties of N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 361.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-N'-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 56754375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).