N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide

C14H22N4O — CID 106625552

IUPACN-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1cncnc1
InChIInChI=1S/C14H22N4O/c1-2-7-18(10-13-5-3-4-6-17-13)14(19)12-8-15-11-16-9-12/h8-9,11,13,17H,2-7,10H2,1H3
InChIKeyZKYPHJZWZASSRY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.47
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide

N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide (PubChem CID 106625552) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
PubChem CID106625552
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)c1cncnc1
InChIInChI=1S/C14H22N4O/c1-2-7-18(10-13-5-3-4-6-17-13)14(19)12-8-15-11-16-9-12/h8-9,11,13,17H,2-7,10H2,1H3
InChIKeyZKYPHJZWZASSRY-UHFFFAOYSA-N
XLogP1.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541
N-ethyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626172
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106753772
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106625827

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide (CID 106625552) is N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide is CCCN(CC1CCCCN1)C(=O)c1cncnc1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide?
The InChIKey is ZKYPHJZWZASSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-18(10-13-5-3-4-6-17-13)14(19)12-8-15-11-16-9-12/h8-9,11,13,17H,2-7,10H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide?
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 106625552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).