N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine

C23H23N7 — CID 141413064

IUPACN-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine
SMILESc1cc(CN2CCNCC2)cc(Nc2cc(-c3ncc4ccncc4n3)ccn2)c1
InChIInChI=1S/C23H23N7/c1-2-17(16-30-10-8-24-9-11-30)12-20(3-1)28-22-13-18(5-7-26-22)23-27-14-19-4-6-25-15-21(19)29-23/h1-7,12-15,24H,8-11,16H2,(H,26,28)
InChIKeyXOFSGKGBFZSZJC-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine

N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine (PubChem CID 141413064) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine
PubChem CID141413064
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC NameN-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine
SMILESc1cc(CN2CCNCC2)cc(Nc2cc(-c3ncc4ccncc4n3)ccn2)c1
InChIInChI=1S/C23H23N7/c1-2-17(16-30-10-8-24-9-11-30)12-20(3-1)28-22-13-18(5-7-26-22)23-27-14-19-4-6-25-15-21(19)29-23/h1-7,12-15,24H,8-11,16H2,(H,26,28)
InChIKeyXOFSGKGBFZSZJC-UHFFFAOYSA-N
XLogP3.24
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-[3-(piperazin-1-ylmethyl)anilino]pyrimidin-4-yl]-2-pyridinyl]-N'-propan-2-ylethane-1,2-diamine
CID 134238434
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-pyrimidin-5-yl-1H-benzimidazol-2-amine
CID 129245693
1-[(3-pyridin-3-yloxyphenyl)methyl]piperazine
CID 135385042
N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]pyrimidin-5-amine
CID 90099994
6-(2-methoxy-4-pyridinyl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129245857
6-[2-(difluoromethyl)-4-pyridinyl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261353
N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-amine
CID 129245695
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
9-methyl-8-[3-[3-(piperazin-1-ylmethyl)phenyl]-4-pyridinyl]purin-2-amine
CID 142780293
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
6-(3-chloro-5-fluoro-4-pyridinyl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
CID 129261348

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine?
The IUPAC name of N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine (CID 141413064) is N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine?
The canonical SMILES for N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine is c1cc(CN2CCNCC2)cc(Nc2cc(-c3ncc4ccncc4n3)ccn2)c1.
What is the InChIKey of N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine?
The InChIKey is XOFSGKGBFZSZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-2-17(16-30-10-8-24-9-11-30)12-20(3-1)28-22-13-18(5-7-26-22)23-27-14-19-4-6-25-15-21(19)29-23/h1-7,12-15,24H,8-11,16H2,(H,26,28).
What are the key properties of N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine?
N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine has a molecular weight of 397.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperazin-1-ylmethyl)phenyl]-4-pyrido[3,4-d]pyrimidin-2-ylpyridin-2-amine is sourced from PubChem (CID 141413064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).