N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide

C16H18N6OS — CID 50923995

IUPACN-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1sccc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C16H18N6OS/c23-16(21-10-2-1-5-17-8-10)13-12(4-7-24-13)22-15-11-3-6-18-14(11)19-9-20-15/h3-4,6-7,9-10,17H,1-2,5,8H2,(H,21,23)(H2,18,19,20,22)
InChIKeyCVTFLMUYENVONH-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.24
Rot. Bonds4

About N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide

N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide (PubChem CID 50923995) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
PubChem CID50923995
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)c1sccc1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C16H18N6OS/c23-16(21-10-2-1-5-17-8-10)13-12(4-7-24-13)22-15-11-3-6-18-14(11)19-9-20-15/h3-4,6-7,9-10,17H,1-2,5,8H2,(H,21,23)(H2,18,19,20,22)
InChIKeyCVTFLMUYENVONH-UHFFFAOYSA-N
XLogP2.24
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide with MolForge

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Related Compounds

N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide
CID 70795716
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
N-(4-phenylbutyl)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 158201886
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
N-piperidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 67959432
N-pyrrolidin-1-yl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 66958088
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide (CID 50923995) is N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide is O=C(NC1CCCNC1)c1sccc1Nc1ncnc2[nH]ccc12.
What is the InChIKey of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide?
The InChIKey is CVTFLMUYENVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c23-16(21-10-2-1-5-17-8-10)13-12(4-7-24-13)22-15-11-3-6-18-14(11)19-9-20-15/h3-4,6-7,9-10,17H,1-2,5,8H2,(H,21,23)(H2,18,19,20,22).
What are the key properties of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide?
N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 50923995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).