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

C16H20N6OS — CID 70795716

IUPACN-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)C1SC=CC1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C16H20N6OS/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/h3-4,6-7,9-10,12-13,17H,1-2,5,8H2,(H,21,23)(H2,18,19,20,22)
InChIKeyBTRSUJNNOQYHFZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.24
Rot. Bonds4

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

N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide (PubChem CID 70795716) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide
PubChem CID70795716
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide
SMILESO=C(NC1CCCNC1)C1SC=CC1Nc1ncnc2[nH]ccc12
InChIInChI=1S/C16H20N6OS/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/h3-4,6-7,9-10,12-13,17H,1-2,5,8H2,(H,21,23)(H2,18,19,20,22)
InChIKeyBTRSUJNNOQYHFZ-UHFFFAOYSA-N
XLogP1.24
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 50923995
3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidine-1-carboxylic acid
CID 118116183
benzene-1,3-dicarboxylic acid;N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 174792429
N-[(3R,5S)-5-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118115879
1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]propan-1-one
CID 122568954
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67518186
cyclopropyl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343885
cyclopropyl-[4-[[(3R)-piperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;hydrochloride
CID 146343881
4-(piperidin-3-ylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 138595531
N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 136522623
4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
CID 138595405
N-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155773580

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide?
The IUPAC name of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide (CID 70795716) is N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide?
The canonical SMILES for N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide is O=C(NC1CCCNC1)C1SC=CC1Nc1ncnc2[nH]ccc12.
What is the InChIKey of N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide?
The InChIKey is BTRSUJNNOQYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/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/h3-4,6-7,9-10,12-13,17H,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)-2,3-dihydrothiophene-2-carboxamide?
N-piperidin-3-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2,3-dihydrothiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.24, 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)-2,3-dihydrothiophene-2-carboxamide is sourced from PubChem (CID 70795716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).