N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide

C24H29ClN6O4 — CID 129198261

IUPACN-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESCNC(=O)NC1CCN(C(=O)Cn2c(C)nc(-c3ccc(Cl)cc3NC(=O)C3CC3)cc2=O)CC1
InChIInChI=1S/C24H29ClN6O4/c1-14-27-20(18-6-5-16(25)11-19(18)29-23(34)15-3-4-15)12-21(32)31(14)13-22(33)30-9-7-17(8-10-30)28-24(35)26-2/h5-6,11-12,15,17H,3-4,7-10,13H2,1-2H3,(H,29,34)(H2,26,28,35)
InChIKeyAJMUFJNVRLKWCU-UHFFFAOYSA-N
MW500.99 g/mol
LogP2.14
Rot. Bonds6

About N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide

N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 129198261) has the molecular formula C24H29ClN6O4 and a molecular weight of 500.99 g/mol. Its IUPAC name is N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID129198261
Molecular FormulaC24H29ClN6O4
Molecular Weight500.99 g/mol
Exact Mass500.19
IUPAC NameN-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESCNC(=O)NC1CCN(C(=O)Cn2c(C)nc(-c3ccc(Cl)cc3NC(=O)C3CC3)cc2=O)CC1
InChIInChI=1S/C24H29ClN6O4/c1-14-27-20(18-6-5-16(25)11-19(18)29-23(34)15-3-4-15)12-21(32)31(14)13-22(33)30-9-7-17(8-10-30)28-24(35)26-2/h5-6,11-12,15,17H,3-4,7-10,13H2,1-2H3,(H,29,34)(H2,26,28,35)
InChIKeyAJMUFJNVRLKWCU-UHFFFAOYSA-N
XLogP2.14
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide (CID 129198261) is N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide is CNC(=O)NC1CCN(C(=O)Cn2c(C)nc(-c3ccc(Cl)cc3NC(=O)C3CC3)cc2=O)CC1.
What is the InChIKey of N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is AJMUFJNVRLKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O4/c1-14-27-20(18-6-5-16(25)11-19(18)29-23(34)15-3-4-15)12-21(32)31(14)13-22(33)30-9-7-17(8-10-30)28-24(35)26-2/h5-6,11-12,15,17H,3-4,7-10,13H2,1-2H3,(H,29,34)(H2,26,28,35).
What are the key properties of N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide?
N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 500.99 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[2-methyl-1-[2-[4-(methylcarbamoylamino)piperidin-1-yl]-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 129198261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).