N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

C22H26ClN5O — CID 164612970

IUPACN-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(Cl)cn4)CC3)c2n1
InChIInChI=1S/C22H26ClN5O/c1-29-21-5-4-20-22(27-21)16(6-10-24-20)7-11-28-12-8-18(9-13-28)26-15-19-3-2-17(23)14-25-19/h2-6,10,14,18,26H,7-9,11-13,15H2,1H3
InChIKeyBMANDSXMIVZGEY-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.48
Rot. Bonds7

About N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine

N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (PubChem CID 164612970) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
PubChem CID164612970
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC NameN-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2nccc(CCN3CCC(NCc4ccc(Cl)cn4)CC3)c2n1
InChIInChI=1S/C22H26ClN5O/c1-29-21-5-4-20-22(27-21)16(6-10-24-20)7-11-28-12-8-18(9-13-28)26-15-19-3-2-17(23)14-25-19/h2-6,10,14,18,26H,7-9,11-13,15H2,1H3
InChIKeyBMANDSXMIVZGEY-UHFFFAOYSA-N
XLogP3.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine (CID 164612970) is N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is COc1ccc2nccc(CCN3CCC(NCc4ccc(Cl)cn4)CC3)c2n1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is BMANDSXMIVZGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-29-21-5-4-20-22(27-21)16(6-10-24-20)7-11-28-12-8-18(9-13-28)26-15-19-3-2-17(23)14-25-19/h2-6,10,14,18,26H,7-9,11-13,15H2,1H3.
What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine?
N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 411.94 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 164612970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).