5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine

C16H23N5 — CID 81250095

IUPAC5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
SMILESCc1cc(N(C)Cc2cnn(C)c2)c(CNC2CC2)cn1
InChIInChI=1S/C16H23N5/c1-12-6-16(14(8-17-12)9-18-15-4-5-15)20(2)10-13-7-19-21(3)11-13/h6-8,11,15,18H,4-5,9-10H2,1-3H3
InChIKeyRXIHHKBNSOCMRU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.01
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine

5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine (PubChem CID 81250095) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
PubChem CID81250095
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
SMILESCc1cc(N(C)Cc2cnn(C)c2)c(CNC2CC2)cn1
InChIInChI=1S/C16H23N5/c1-12-6-16(14(8-17-12)9-18-15-4-5-15)20(2)10-13-7-19-21(3)11-13/h6-8,11,15,18H,4-5,9-10H2,1-3H3
InChIKeyRXIHHKBNSOCMRU-UHFFFAOYSA-N
XLogP2.01
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442495
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 81146399
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
CID 81248839
5-[(cyclopropylamino)methyl]-N,N-diethyl-2-methylpyridin-4-amine
CID 81248791
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62767914
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine
CID 61442546
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 66451248
5-bromo-N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442401
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 81246951
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-(2-methylcyclohexyl)pyridin-4-amine
CID 81250072
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine (CID 81250095) is 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine is Cc1cc(N(C)Cc2cnn(C)c2)c(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
The InChIKey is RXIHHKBNSOCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-6-16(14(8-17-12)9-18-15-4-5-15)20(2)10-13-7-19-21(3)11-13/h6-8,11,15,18H,4-5,9-10H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine?
5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 81250095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).