2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide

C17H21N5O2S — CID 97122179

IUPAC2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)cn1
InChIInChI=1S/C17H21N5O2S/c1-2-18-17-19-9-12(10-20-17)15(23)21-13-5-3-7-22(11-13)16(24)14-6-4-8-25-14/h4,6,8-10,13H,2-3,5,7,11H2,1H3,(H,21,23)(H,18,19,20)/t13-/m0/s1
InChIKeyFMBZAYGYZPFUHU-ZDUSSCGKSA-N
MW359.46 g/mol
LogP2.00
Rot. Bonds5

About 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 97122179) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID97122179
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)cn1
InChIInChI=1S/C17H21N5O2S/c1-2-18-17-19-9-12(10-20-17)15(23)21-13-5-3-7-22(11-13)16(24)14-6-4-8-25-14/h4,6,8-10,13H,2-3,5,7,11H2,1H3,(H,21,23)(H,18,19,20)/t13-/m0/s1
InChIKeyFMBZAYGYZPFUHU-ZDUSSCGKSA-N
XLogP2.00
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
2-(methylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
CID 95401258
N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95727351
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
3-[1-[2-(ethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 72856458
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
CID 72874396
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 97122179) is 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3cccs3)C2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is FMBZAYGYZPFUHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-18-17-19-9-12(10-20-17)15(23)21-13-5-3-7-22(11-13)16(24)14-6-4-8-25-14/h4,6,8-10,13H,2-3,5,7,11H2,1H3,(H,21,23)(H,18,19,20)/t13-/m0/s1.
What are the key properties of 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97122179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).