N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide

C16H17N7O — CID 57382810

IUPACN-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(c2ncnc3[nH]ccc23)CC1)c1cncnc1
InChIInChI=1S/C16H17N7O/c24-16(11-7-17-9-18-8-11)22-12-2-5-23(6-3-12)15-13-1-4-19-14(13)20-10-21-15/h1,4,7-10,12H,2-3,5-6H2,(H,22,24)(H,19,20,21)
InChIKeyIJFZARWBHUICRN-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.15
Rot. Bonds3

About N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide

N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 57382810) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID57382810
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(c2ncnc3[nH]ccc23)CC1)c1cncnc1
InChIInChI=1S/C16H17N7O/c24-16(11-7-17-9-18-8-11)22-12-2-5-23(6-3-12)15-13-1-4-19-14(13)20-10-21-15/h1,4,7-10,12H,2-3,5-6H2,(H,22,24)(H,19,20,21)
InChIKeyIJFZARWBHUICRN-UHFFFAOYSA-N
XLogP1.15
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 57382847
N-cyclopropyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 141448653
1-[2-(4-fluorophenyl)ethyl]-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]urea
CID 90114853
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294
3-phenyl-2-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamoylamino]propanoic acid
CID 175439168
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethenamine;hydrochloride
CID 166509639
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 172616633
N-(4-methylphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 99773777
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 131918794
1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]azetidin-3-ol
CID 167818943

Frequently Asked Questions

What is the IUPAC name of N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 57382810) is N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide is O=C(NC1CCN(c2ncnc3[nH]ccc23)CC1)c1cncnc1.
What is the InChIKey of N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is IJFZARWBHUICRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c24-16(11-7-17-9-18-8-11)22-12-2-5-23(6-3-12)15-13-1-4-19-14(13)20-10-21-15/h1,4,7-10,12H,2-3,5-6H2,(H,22,24)(H,19,20,21).
What are the key properties of N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide?
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 57382810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).