N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C17H23N5O — CID 109349598

IUPACN,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C17H23N5O/c1-3-9-22(10-4-2)17(23)15-11-16(21-13-20-15)19-12-14-7-5-6-8-18-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,19,20,21)
InChIKeyUDJYLJHLAQHTSP-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.75
Rot. Bonds8

About N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109349598) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109349598
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C17H23N5O/c1-3-9-22(10-4-2)17(23)15-11-16(21-13-20-15)19-12-14-7-5-6-8-18-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,19,20,21)
InChIKeyUDJYLJHLAQHTSP-UHFFFAOYSA-N
XLogP2.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860603
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
6-(2-propan-2-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355356
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349642
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349631
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109349598) is N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(NCc2ccccn2)ncn1.
What is the InChIKey of N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is UDJYLJHLAQHTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-9-22(10-4-2)17(23)15-11-16(21-13-20-15)19-12-14-7-5-6-8-18-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).