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

C21H20ClF2N5 — CID 56658791

IUPACN-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
SMILESFc1cnc(N2CCC(NC(c3cccnc3)c3ccc(Cl)cc3F)CC2)nc1
InChIInChI=1S/C21H20ClF2N5/c22-15-3-4-18(19(24)10-15)20(14-2-1-7-25-11-14)28-17-5-8-29(9-6-17)21-26-12-16(23)13-27-21/h1-4,7,10-13,17,20,28H,5-6,8-9H2
InChIKeyBEYOBBXJMUPECI-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.15
Rot. Bonds5

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

N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine (PubChem CID 56658791) has the molecular formula C21H20ClF2N5 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
PubChem CID56658791
Molecular FormulaC21H20ClF2N5
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine
SMILESFc1cnc(N2CCC(NC(c3cccnc3)c3ccc(Cl)cc3F)CC2)nc1
InChIInChI=1S/C21H20ClF2N5/c22-15-3-4-18(19(24)10-15)20(14-2-1-7-25-11-14)28-17-5-8-29(9-6-17)21-26-12-16(23)13-27-21/h1-4,7,10-13,17,20,28H,5-6,8-9H2
InChIKeyBEYOBBXJMUPECI-UHFFFAOYSA-N
XLogP4.15
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine with MolForge

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Related Compounds

1-(4-chloro-2-fluorophenyl)-N-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperidin-4-amine
CID 56672780
2-[4-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]pyrimidine
CID 56676128
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
2-[4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 56669062
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
[4-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]piperazin-1-yl]-cyclopropylmethanone
CID 56668892
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
CID 125167230
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine (CID 56658791) is N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine is Fc1cnc(N2CCC(NC(c3cccnc3)c3ccc(Cl)cc3F)CC2)nc1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
The InChIKey is BEYOBBXJMUPECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N5/c22-15-3-4-18(19(24)10-15)20(14-2-1-7-25-11-14)28-17-5-8-29(9-6-17)21-26-12-16(23)13-27-21/h1-4,7,10-13,17,20,28H,5-6,8-9H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine?
N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine has a molecular weight of 415.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-1-(5-fluoropyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 56658791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).