3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide

C17H21N5O3S — CID 55501306

IUPAC3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(N2CCOCC2)nc1)c1cccs1
InChIInChI=1S/C17H21N5O3S/c18-17(24)21-13(14-2-1-9-26-14)10-16(23)20-12-3-4-15(19-11-12)22-5-7-25-8-6-22/h1-4,9,11,13H,5-8,10H2,(H,20,23)(H3,18,21,24)
InChIKeyYWCSFWDHHXBPKS-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.72
Rot. Bonds6

About 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide (PubChem CID 55501306) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide
PubChem CID55501306
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1ccc(N2CCOCC2)nc1)c1cccs1
InChIInChI=1S/C17H21N5O3S/c18-17(24)21-13(14-2-1-9-26-14)10-16(23)20-12-3-4-15(19-11-12)22-5-7-25-8-6-22/h1-4,9,11,13H,5-8,10H2,(H,20,23)(H3,18,21,24)
InChIKeyYWCSFWDHHXBPKS-UHFFFAOYSA-N
XLogP1.72
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-(3-phenoxyphenyl)propanamide
CID 34444234
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 75866480
2-(carbamoylamino)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)pentanamide
CID 43044640
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 24590429
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
3-(carbamoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-thiophen-2-ylpropanamide
CID 56809727
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide (CID 55501306) is 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)Nc1ccc(N2CCOCC2)nc1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide?
The InChIKey is YWCSFWDHHXBPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c18-17(24)21-13(14-2-1-9-26-14)10-16(23)20-12-3-4-15(19-11-12)22-5-7-25-8-6-22/h1-4,9,11,13H,5-8,10H2,(H,20,23)(H3,18,21,24).
What are the key properties of 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide has a molecular weight of 375.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55501306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).