N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine

C17H25N5 — CID 95825517

IUPACN-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccn(CCNc2cccc(C[C@@H]3CCCNC3)n2)n1
InChIInChI=1S/C17H25N5/c1-14-7-10-22(21-14)11-9-19-17-6-2-5-16(20-17)12-15-4-3-8-18-13-15/h2,5-7,10,15,18H,3-4,8-9,11-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyUITBELZIUDYSFZ-HNNXBMFYSA-N
MW299.42 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine

N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95825517) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine
PubChem CID95825517
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine
SMILESCc1ccn(CCNc2cccc(C[C@@H]3CCCNC3)n2)n1
InChIInChI=1S/C17H25N5/c1-14-7-10-22(21-14)11-9-19-17-6-2-5-16(20-17)12-15-4-3-8-18-13-15/h2,5-7,10,15,18H,3-4,8-9,11-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyUITBELZIUDYSFZ-HNNXBMFYSA-N
XLogP2.24
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95846697
2-[[(3R)-piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine
CID 95846194
1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine
CID 103568715
5-phenyl-N-[6-(piperidin-3-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;hydrochloride
CID 171699913
N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95826474
6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 110257278
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
CID 117360765
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
6-ethyl-N-(2-piperidin-3-ylethyl)pyridazin-3-amine
CID 116972209

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine (CID 95825517) is N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine is Cc1ccn(CCNc2cccc(C[C@@H]3CCCNC3)n2)n1.
What is the InChIKey of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is UITBELZIUDYSFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5/c1-14-7-10-22(21-14)11-9-19-17-6-2-5-16(20-17)12-15-4-3-8-18-13-15/h2,5-7,10,15,18H,3-4,8-9,11-13H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine?
N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrazol-1-yl)ethyl]-6-[[(3S)-piperidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95825517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).