N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide

C24H27N7O4 — CID 53330379

IUPACN-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide
SMILESCCOc1cnc(-c2ccc(NC(=O)Nc3ccc(NC(C)=O)nc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C24H27N7O4/c1-3-35-20-15-26-22(30-23(20)31-10-12-34-13-11-31)17-4-6-18(7-5-17)28-24(33)29-19-8-9-21(25-14-19)27-16(2)32/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,27,32)(H2,28,29,33)
InChIKeySPHGJVIEZAUFKO-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.38
Rot. Bonds7

About N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide

N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide (PubChem CID 53330379) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide
PubChem CID53330379
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC NameN-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide
SMILESCCOc1cnc(-c2ccc(NC(=O)Nc3ccc(NC(C)=O)nc3)cc2)nc1N1CCOCC1
InChIInChI=1S/C24H27N7O4/c1-3-35-20-15-26-22(30-23(20)31-10-12-34-13-11-31)17-4-6-18(7-5-17)28-24(33)29-19-8-9-21(25-14-19)27-16(2)32/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,27,32)(H2,28,29,33)
InChIKeySPHGJVIEZAUFKO-UHFFFAOYSA-N
XLogP3.38
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884549
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884582
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
2-[[4-[5,6,7,8-Tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]amino]-4(3H)-pyrimidinone
CID 59239300
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 44513884
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-3-ylurea
CID 44513885
1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenyl)-3-pyridin-3-ylurea
CID 44600952
1-(4-{7-[2-(Dimethylamino)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenyl)-3-pyridin-2-ylurea
CID 44600954
6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyridin-2-one
CID 44814563
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide (CID 53330379) is N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide is CCOc1cnc(-c2ccc(NC(=O)Nc3ccc(NC(C)=O)nc3)cc2)nc1N1CCOCC1.
What is the InChIKey of N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide?
The InChIKey is SPHGJVIEZAUFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-3-35-20-15-26-22(30-23(20)31-10-12-34-13-11-31)17-4-6-18(7-5-17)28-24(33)29-19-8-9-21(25-14-19)27-16(2)32/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,27,32)(H2,28,29,33).
What are the key properties of N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide?
N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide has a molecular weight of 477.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]-2-pyridinyl]acetamide is sourced from PubChem (CID 53330379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).