N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C24H34N6O — CID 168752996

IUPACN-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)C1CCN(c2ncc(Nc3ccc(CNC(=O)C4CCCN4)cc3)cn2)CC1
InChIInChI=1S/C24H34N6O/c1-17(2)19-9-12-30(13-10-19)24-27-15-21(16-28-24)29-20-7-5-18(6-8-20)14-26-23(31)22-4-3-11-25-22/h5-8,15-17,19,22,25,29H,3-4,9-14H2,1-2H3,(H,26,31)
InChIKeyPDUWPOJCUJNSRA-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.46
Rot. Bonds7

About N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 168752996) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID168752996
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)C1CCN(c2ncc(Nc3ccc(CNC(=O)C4CCCN4)cc3)cn2)CC1
InChIInChI=1S/C24H34N6O/c1-17(2)19-9-12-30(13-10-19)24-27-15-21(16-28-24)29-20-7-5-18(6-8-20)14-26-23(31)22-4-3-11-25-22/h5-8,15-17,19,22,25,29H,3-4,9-14H2,1-2H3,(H,26,31)
InChIKeyPDUWPOJCUJNSRA-UHFFFAOYSA-N
XLogP3.46
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-methyl-N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062112
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(2S)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836228
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 168752996) is N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is CC(C)C1CCN(c2ncc(Nc3ccc(CNC(=O)C4CCCN4)cc3)cn2)CC1.
What is the InChIKey of N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is PDUWPOJCUJNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-17(2)19-9-12-30(13-10-19)24-27-15-21(16-28-24)29-20-7-5-18(6-8-20)14-26-23(31)22-4-3-11-25-22/h5-8,15-17,19,22,25,29H,3-4,9-14H2,1-2H3,(H,26,31).
What are the key properties of N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 422.58 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 168752996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).