N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

C24H24F3N7O4 — CID 118385748

IUPACN-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3cnc(N)nc3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C24H24F3N7O4/c1-14(34-6-8-37-9-7-34)21(35)33-19-10-15(2-5-20(19)38-24(25,26)27)22(36)32-17-3-4-18(29-13-17)16-11-30-23(28)31-12-16/h2-5,10-14H,6-9H2,1H3,(H,32,36)(H,33,35)(H2,28,30,31)
InChIKeyNZGRVWFDZGQFGW-UHFFFAOYSA-N
MW531.50 g/mol
LogP2.93
Rot. Bonds7

About N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide

N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (PubChem CID 118385748) has the molecular formula C24H24F3N7O4 and a molecular weight of 531.50 g/mol. Its IUPAC name is N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
PubChem CID118385748
Molecular FormulaC24H24F3N7O4
Molecular Weight531.50 g/mol
Exact Mass531.18
IUPAC NameN-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
SMILESCC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3cnc(N)nc3)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/C24H24F3N7O4/c1-14(34-6-8-37-9-7-34)21(35)33-19-10-15(2-5-20(19)38-24(25,26)27)22(36)32-17-3-4-18(29-13-17)16-11-30-23(28)31-12-16/h2-5,10-14H,6-9H2,1H3,(H,32,36)(H,33,35)(H2,28,30,31)
InChIKeyNZGRVWFDZGQFGW-UHFFFAOYSA-N
XLogP2.93
TPSA144.59 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

tert-butyl N-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamate
CID 118393080
tert-butyl-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 129021633
N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 158279988
N-[4-(2-aminopyrimidin-5-yl)phenyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122499939
N-[6-(3-fluorophenyl)-3-pyridinyl]-2-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 90463129
N-[6-(2-aminopyrimidin-5-yl)pyridazin-3-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385317
N-[5-(2-aminopyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385809
N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethyl)phenyl]-4-phenylbenzamide
CID 90459105
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
CID 110483733
N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
CID 162238892
N-[5-(methoxyamino)-2-(trifluoromethoxy)phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 138519541

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide (CID 118385748) is N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is CC(C(=O)Nc1cc(C(=O)Nc2ccc(-c3cnc(N)nc3)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
The InChIKey is NZGRVWFDZGQFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O4/c1-14(34-6-8-37-9-7-34)21(35)33-19-10-15(2-5-20(19)38-24(25,26)27)22(36)32-17-3-4-18(29-13-17)16-11-30-23(28)31-12-16/h2-5,10-14H,6-9H2,1H3,(H,32,36)(H,33,35)(H2,28,30,31).
What are the key properties of N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide?
N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide has a molecular weight of 531.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 118385748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).