N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide

C21H21N5O2 — CID 86296891

IUPACN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cncnc2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H21N5O2/c1-15-2-3-18(25-21(27)17-12-22-14-23-13-17)11-19(15)16-4-5-24-20(10-16)26-6-8-28-9-7-26/h2-5,10-14H,6-9H2,1H3,(H,25,27)
InChIKeyBQBDNEAPPRMBAP-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.94
Rot. Bonds4

About N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide

N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 86296891) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide
PubChem CID86296891
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cncnc2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H21N5O2/c1-15-2-3-18(25-21(27)17-12-22-14-23-13-17)11-19(15)16-4-5-24-20(10-16)26-6-8-28-9-7-26/h2-5,10-14H,6-9H2,1H3,(H,25,27)
InChIKeyBQBDNEAPPRMBAP-UHFFFAOYSA-N
XLogP2.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide (CID 86296891) is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cncnc2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is BQBDNEAPPRMBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15-2-3-18(25-21(27)17-12-22-14-23-13-17)11-19(15)16-4-5-24-20(10-16)26-6-8-28-9-7-26/h2-5,10-14H,6-9H2,1H3,(H,25,27).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide?
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 86296891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).