N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C17H25N5O — CID 166602271

IUPACN-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCn1ccc2c(N3CCCC(C(=O)NC(C)(C)C)C3)ncnc21
InChIInChI=1S/C17H25N5O/c1-17(2,3)20-16(23)12-6-5-8-22(10-12)15-13-7-9-21(4)14(13)18-11-19-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,23)
InChIKeyXWPOBZXETATDRV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.10
Rot. Bonds2

About N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 166602271) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID166602271
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCn1ccc2c(N3CCCC(C(=O)NC(C)(C)C)C3)ncnc21
InChIInChI=1S/C17H25N5O/c1-17(2,3)20-16(23)12-6-5-8-22(10-12)15-13-7-9-21(4)14(13)18-11-19-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,23)
InChIKeyXWPOBZXETATDRV-UHFFFAOYSA-N
XLogP2.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-1-pyrido[3,4-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 166600895
N-methyl-N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602904
N-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 163357688
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
N-methyl-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 166602309
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800283
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
CID 155799700
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 166602271) is N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cn1ccc2c(N3CCCC(C(=O)NC(C)(C)C)C3)ncnc21.
What is the InChIKey of N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is XWPOBZXETATDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(2,3)20-16(23)12-6-5-8-22(10-12)15-13-7-9-21(4)14(13)18-11-19-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,20,23).
What are the key properties of N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 166602271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).