N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide

C17H23N5O — CID 46967271

IUPACN-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1
InChIInChI=1S/C17H23N5O/c1-4-5-16(23)19-11-8-15-14(13-6-9-18-10-7-13)12-20-17(21-15)22(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,23)
InChIKeyWXZRSYDCBXJHHC-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.06
Rot. Bonds7

About N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide

N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide (PubChem CID 46967271) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide
PubChem CID46967271
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1
InChIInChI=1S/C17H23N5O/c1-4-5-16(23)19-11-8-15-14(13-6-9-18-10-7-13)12-20-17(21-15)22(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,23)
InChIKeyWXZRSYDCBXJHHC-UHFFFAOYSA-N
XLogP2.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jnk-IN-7
CID 57340685
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Dalpiciclib
CID 86279927
Cgp-53716
CID 9864718
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 42
CID 5330285
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide?
The IUPAC name of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide (CID 46967271) is N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide is CCCC(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1.
What is the InChIKey of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide?
The InChIKey is WXZRSYDCBXJHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-5-16(23)19-11-8-15-14(13-6-9-18-10-7-13)12-20-17(21-15)22(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide?
N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide has a molecular weight of 313.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]ethyl]butanamide is sourced from PubChem (CID 46967271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).