3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine

C19H23ClN4 — CID 141133485

IUPAC3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine
SMILESC=CCc1cnc(NC2CCN(Cc3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4/c1-2-3-16-12-18(20)19(22-13-16)23-17-6-10-24(11-7-17)14-15-4-8-21-9-5-15/h2,4-5,8-9,12-13,17H,1,3,6-7,10-11,14H2,(H,22,23)
InChIKeyQVAODRQFDUAVJF-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.93
Rot. Bonds6

About 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine

3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine (PubChem CID 141133485) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine
PubChem CID141133485
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC Name3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine
SMILESC=CCc1cnc(NC2CCN(Cc3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C19H23ClN4/c1-2-3-16-12-18(20)19(22-13-16)23-17-6-10-24(11-7-17)14-15-4-8-21-9-5-15/h2,4-5,8-9,12-13,17H,1,3,6-7,10-11,14H2,(H,22,23)
InChIKeyQVAODRQFDUAVJF-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-prop-2-enylpyridin-2-amine
CID 141133510
4-[(4-ethenylpiperidin-1-yl)methyl]pyridine
CID 142137767
6-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]amino]-5-chloropyridine-3-carboxamide
CID 133366936
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
CID 136552683
5-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 128992386
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
(E)-3-[5-chloro-6-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636956
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
3-[6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-5-chloro-3-pyridinyl]-2-fluoroprop-2-enoic acid
CID 68960130
3-[5-chloro-6-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91156598
3-[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;trihydrochloride
CID 173124826

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine (CID 141133485) is 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine is C=CCc1cnc(NC2CCN(Cc3ccncc3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is QVAODRQFDUAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c1-2-3-16-12-18(20)19(22-13-16)23-17-6-10-24(11-7-17)14-15-4-8-21-9-5-15/h2,4-5,8-9,12-13,17H,1,3,6-7,10-11,14H2,(H,22,23).
What are the key properties of 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine?
3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 342.87 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-prop-2-enyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 141133485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).