6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

C18H20N6 — CID 102078238

IUPAC6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESc1cncc(CNc2ncnc3cnc(N4CCCCC4)cc23)c1
InChIInChI=1S/C18H20N6/c1-2-7-24(8-3-1)17-9-15-16(12-20-17)22-13-23-18(15)21-11-14-5-4-6-19-10-14/h4-6,9-10,12-13H,1-3,7-8,11H2,(H,21,22,23)
InChIKeyHRTSMPYCQYWBGQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.02
Rot. Bonds4

About 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 102078238) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID102078238
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
SMILESc1cncc(CNc2ncnc3cnc(N4CCCCC4)cc23)c1
InChIInChI=1S/C18H20N6/c1-2-7-24(8-3-1)17-9-15-16(12-20-17)22-13-23-18(15)21-11-14-5-4-6-19-10-14/h4-6,9-10,12-13H,1-3,7-8,11H2,(H,21,22,23)
InChIKeyHRTSMPYCQYWBGQ-UHFFFAOYSA-N
XLogP3.02
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine
CID 90161049
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
CID 6984765
3-[4-(pyridin-3-ylmethylamino)quinazolin-6-yl]benzonitrile
CID 3235560
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
N-(1-benzylindazol-5-yl)-6-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 22727449
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18167052
N-(pyridin-3-ylmethyl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-amine
CID 20910304
4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
CID 69183762
6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 173133421

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 102078238) is 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is c1cncc(CNc2ncnc3cnc(N4CCCCC4)cc23)c1.
What is the InChIKey of 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is HRTSMPYCQYWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-7-24(8-3-1)17-9-15-16(12-20-17)22-13-23-18(15)21-11-14-5-4-6-19-10-14/h4-6,9-10,12-13H,1-3,7-8,11H2,(H,21,22,23).
What are the key properties of 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?
6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 102078238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).