3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide

C24H29N5O2 — CID 134009311

IUPAC3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C24H29N5O2/c30-21(28-20-14-26-22(27-15-20)19-4-2-1-3-5-19)6-7-25-23(31)29-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-5,14-18H,6-13H2,(H,28,30)(H2,25,29,31)
InChIKeyYFBKNAIGLMBGNE-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.74
Rot. Bonds6

About 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide

3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 134009311) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID134009311
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C24H29N5O2/c30-21(28-20-14-26-22(27-15-20)19-4-2-1-3-5-19)6-7-25-23(31)29-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-5,14-18H,6-13H2,(H,28,30)(H2,25,29,31)
InChIKeyYFBKNAIGLMBGNE-UHFFFAOYSA-N
XLogP3.74
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55780167
3-(1-adamantylcarbamoylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 26584433
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CID 35930615
N-(2-phenylpyrimidin-5-yl)propanamide
CID 53014772
3-(1-adamantylcarbamoylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 78839020
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CID 134016396
4-[[6-(1-adamantylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39178183
3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 134017559
3-(1-adamantylcarbamoylamino)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55453691
N-(1-adamantyl)-2-(2-phenylphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide (CID 134009311) is 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is YFBKNAIGLMBGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-21(28-20-14-26-22(27-15-20)19-4-2-1-3-5-19)6-7-25-23(31)29-24-11-16-8-17(12-24)10-18(9-16)13-24/h1-5,14-18H,6-13H2,(H,28,30)(H2,25,29,31).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 134009311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).