4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide

C18H23N5O2 — CID 126793113

IUPAC4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C18H23N5O2/c19-17-16(10-20-12-22-17)18(25)21-9-13-1-3-14(4-2-13)11-23-7-5-15(24)6-8-23/h1-4,10,12,15,24H,5-9,11H2,(H,21,25)(H2,19,20,22)
InChIKeyPAFISTIWALACLC-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.95
Rot. Bonds5

About 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide

4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 126793113) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID126793113
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C18H23N5O2/c19-17-16(10-20-12-22-17)18(25)21-9-13-1-3-14(4-2-13)11-23-7-5-15(24)6-8-23/h1-4,10,12,15,24H,5-9,11H2,(H,21,25)(H2,19,20,22)
InChIKeyPAFISTIWALACLC-UHFFFAOYSA-N
XLogP0.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126778035
4-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126788876
2-benzyl-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56552174
3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
CID 56552112
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 56552201
5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide
CID 56552218
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
N-[[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 166244848
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide (CID 126793113) is 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide is Nc1ncncc1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is PAFISTIWALACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-17-16(10-20-12-22-17)18(25)21-9-13-1-3-14(4-2-13)11-23-7-5-15(24)6-8-23/h1-4,10,12,15,24H,5-9,11H2,(H,21,25)(H2,19,20,22).
What are the key properties of 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide?
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126793113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).