N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C16H26N4 — CID 75047936

IUPACN-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCNC1CCN(c2ccnc(NCC3CCCC3)c2)C1
InChIInChI=1S/C16H26N4/c1-17-14-7-9-20(12-14)15-6-8-18-16(10-15)19-11-13-4-2-3-5-13/h6,8,10,13-14,17H,2-5,7,9,11-12H2,1H3,(H,18,19)
InChIKeyASNFGXUCTAGINL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.48
Rot. Bonds5

About N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 75047936) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID75047936
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCNC1CCN(c2ccnc(NCC3CCCC3)c2)C1
InChIInChI=1S/C16H26N4/c1-17-14-7-9-20(12-14)15-6-8-18-16(10-15)19-11-13-4-2-3-5-13/h6,8,10,13-14,17H,2-5,7,9,11-12H2,1H3,(H,18,19)
InChIKeyASNFGXUCTAGINL-UHFFFAOYSA-N
XLogP2.48
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547276
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227290
N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547719
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75048000
N-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 67087592
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 58227177
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride
CID 66815760
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668
4-(3-methoxypyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 103541733
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 67087675
4-N-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91003699

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 75047936) is N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CNC1CCN(c2ccnc(NCC3CCCC3)c2)C1.
What is the InChIKey of N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is ASNFGXUCTAGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-14-7-9-20(12-14)15-6-8-18-16(10-15)19-11-13-4-2-3-5-13/h6,8,10,13-14,17H,2-5,7,9,11-12H2,1H3,(H,18,19).
What are the key properties of N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 75047936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).