N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine

C17H21ClN4 — CID 131963797

IUPACN-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2CCN(Cc3ncccc3Cl)C2)n1
InChIInChI=1S/C17H21ClN4/c1-13-4-2-6-17(21-13)20-10-14-7-9-22(11-14)12-16-15(18)5-3-8-19-16/h2-6,8,14H,7,9-12H2,1H3,(H,20,21)
InChIKeyHISARVDAUZGVJY-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.37
Rot. Bonds5

About N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine

N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (PubChem CID 131963797) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
PubChem CID131963797
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCC2CCN(Cc3ncccc3Cl)C2)n1
InChIInChI=1S/C17H21ClN4/c1-13-4-2-6-17(21-13)20-10-14-7-9-22(11-14)12-16-15(18)5-3-8-19-16/h2-6,8,14H,7,9-12H2,1H3,(H,20,21)
InChIKeyHISARVDAUZGVJY-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine with MolForge

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Related Compounds

6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773957
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 120753086
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine;dihydrochloride
CID 120753085
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
6-methyl-N-[[(3R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124614682
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523
6-methyl-N-[[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 97351953

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine (CID 131963797) is N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is Cc1cccc(NCC2CCN(Cc3ncccc3Cl)C2)n1.
What is the InChIKey of N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
The InChIKey is HISARVDAUZGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-13-4-2-6-17(21-13)20-10-14-7-9-22(11-14)12-16-15(18)5-3-8-19-16/h2-6,8,14H,7,9-12H2,1H3,(H,20,21).
What are the key properties of N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine?
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine has a molecular weight of 316.84 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 131963797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).