N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine

C15H17ClN4 — CID 122147269

IUPACN-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESClc1cnccc1N1CCC(CNc2ccccn2)C1
InChIInChI=1S/C15H17ClN4/c16-13-10-17-7-4-14(13)20-8-5-12(11-20)9-19-15-3-1-2-6-18-15/h1-4,6-7,10,12H,5,8-9,11H2,(H,18,19)
InChIKeyLVMADRMBYQDHHX-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.07
Rot. Bonds4

About N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 122147269) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID122147269
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESClc1cnccc1N1CCC(CNc2ccccn2)C1
InChIInChI=1S/C15H17ClN4/c16-13-10-17-7-4-14(13)20-8-5-12(11-20)9-19-15-3-1-2-6-18-15/h1-4,6-7,10,12H,5,8-9,11H2,(H,18,19)
InChIKeyLVMADRMBYQDHHX-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 133286080
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86798079
N-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 86773701
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
N-[[(3S)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 99638683
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
4-bromo-2-fluoro-6-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzamide
CID 133441347
1-N,1-N-dimethyl-4-[(3S)-3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]benzene-1,3-disulfonamide
CID 100671321
5-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167929901
2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133280258
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
CID 80674261

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 122147269) is N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is Clc1cnccc1N1CCC(CNc2ccccn2)C1.
What is the InChIKey of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is LVMADRMBYQDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-13-10-17-7-4-14(13)20-8-5-12(11-20)9-19-15-3-1-2-6-18-15/h1-4,6-7,10,12H,5,8-9,11H2,(H,18,19).
What are the key properties of N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 288.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 122147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).