2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide

C16H19N5O2S — CID 44560620

IUPAC2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2cccnc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-4-2-6-19-9-11)7-13(24-15)10-3-1-5-18-8-10/h1,3,5,7-8,11,19H,2,4,6,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1
InChIKeyGCSKSASBAPPULE-NSHDSACASA-N
MW345.43 g/mol
LogP1.78
Rot. Bonds4

About 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide

2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide (PubChem CID 44560620) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide
PubChem CID44560620
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2cccnc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-4-2-6-19-9-11)7-13(24-15)10-3-1-5-18-8-10/h1,3,5,7-8,11,19H,2,4,6,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1
InChIKeyGCSKSASBAPPULE-NSHDSACASA-N
XLogP1.78
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide (CID 44560620) is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2cccnc2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide?
The InChIKey is GCSKSASBAPPULE-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-4-2-6-19-9-11)7-13(24-15)10-3-1-5-18-8-10/h1,3,5,7-8,11,19H,2,4,6,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide?
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-pyridin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 44560620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).