N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide

C23H24ClN5O2 — CID 134799163

IUPACN-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccccc4Cl)n3)CC2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-31-18-8-6-16(7-9-18)22(30)26-17-11-14-29(15-12-17)23-25-13-10-21(28-23)27-20-5-3-2-4-19(20)24/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyGZANMEDLRLDIHN-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.28
Rot. Bonds6

About N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide

N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide (PubChem CID 134799163) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide
PubChem CID134799163
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccccc4Cl)n3)CC2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-31-18-8-6-16(7-9-18)22(30)26-17-11-14-29(15-12-17)23-25-13-10-21(28-23)27-20-5-3-2-4-19(20)24/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyGZANMEDLRLDIHN-UHFFFAOYSA-N
XLogP4.28
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide (CID 134799163) is N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccccc4Cl)n3)CC2)cc1.
What is the InChIKey of N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is GZANMEDLRLDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-31-18-8-6-16(7-9-18)22(30)26-17-11-14-29(15-12-17)23-25-13-10-21(28-23)27-20-5-3-2-4-19(20)24/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide?
N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 437.93 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-chloroanilino)pyrimidin-2-yl]piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 134799163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).