1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea

C16H19N3OS — CID 94120635

IUPAC1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)N[C@@H](c1cccs1)C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(18-13-7-9-17-10-8-13)19-15(12-4-1-2-5-12)14-6-3-11-21-14/h3,6-12,15H,1-2,4-5H2,(H2,17,18,19,20)/t15-/m1/s1
InChIKeyLIPIZYRNZPDACV-OAHLLOKOSA-N
MW301.41 g/mol
LogP4.20
Rot. Bonds4

About 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea

1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea (PubChem CID 94120635) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
PubChem CID94120635
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)N[C@@H](c1cccs1)C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(18-13-7-9-17-10-8-13)19-15(12-4-1-2-5-12)14-6-3-11-21-14/h3,6-12,15H,1-2,4-5H2,(H2,17,18,19,20)/t15-/m1/s1
InChIKeyLIPIZYRNZPDACV-OAHLLOKOSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
1-[(S)-cyclopentyl(thiophen-2-yl)methyl]-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
CID 95575157
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566505
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
1-[(6-chloropyridazin-3-yl)amino]-3-[cyclopentyl(thiophen-2-yl)methyl]urea
CID 75403796

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea (CID 94120635) is 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea is O=C(Nc1ccncc1)N[C@@H](c1cccs1)C1CCCC1.
What is the InChIKey of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea?
The InChIKey is LIPIZYRNZPDACV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(18-13-7-9-17-10-8-13)19-15(12-4-1-2-5-12)14-6-3-11-21-14/h3,6-12,15H,1-2,4-5H2,(H2,17,18,19,20)/t15-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea?
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea has a molecular weight of 301.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 94120635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).